>compound (S)-(+)-Citramailc acid_(S)-(+)-Citramailc acid
#instrument UPLC Q-Tof Premier, Waters
>formula C5H8O5
#smiles OC(=O)CC(C)(O)C(O)=O
#RECORD LC-ESI-QTOF_train_data/PR100732.txt;LC-ESI-QTOF_train_data/PR100302.txt
>charge -1
>ionization [M-H]-
>parentmass 147.02937

>collision 5-60
85.0298 54.73
87.0092 95.45
129.0189 19.26
146.8984 42.02
147.0294 107.9

>collision 5-60
133.0145 102.0
149.045 63.11

